6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide

C32H25FN4O3 — CID 123660479

IUPAC6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)C)c(-c3ccc4c(n3)-c3cc5ccccc5n3CO4)cc12
InChIInChI=1S/C32H25FN4O3/c1-34-32(38)29-22-15-21(25(36(2)3)16-28(22)40-31(29)18-8-10-20(33)11-9-18)23-12-13-27-30(35-23)26-14-19-6-4-5-7-24(19)37(26)17-39-27/h4-16H,17H2,1-3H3,(H,34,38)
InChIKeyIIBCXKDVNFTORD-UHFFFAOYSA-N
MW532.58 g/mol
LogP6.70
Rot. Bonds4

About 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide

6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide (PubChem CID 123660479) has the molecular formula C32H25FN4O3 and a molecular weight of 532.58 g/mol. Its IUPAC name is 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide
PubChem CID123660479
Molecular FormulaC32H25FN4O3
Molecular Weight532.58 g/mol
Exact Mass532.19
IUPAC Name6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)C)c(-c3ccc4c(n3)-c3cc5ccccc5n3CO4)cc12
InChIInChI=1S/C32H25FN4O3/c1-34-32(38)29-22-15-21(25(36(2)3)16-28(22)40-31(29)18-8-10-20(33)11-9-18)23-12-13-27-30(35-23)26-14-19-6-4-5-7-24(19)37(26)17-39-27/h4-16H,17H2,1-3H3,(H,34,38)
InChIKeyIIBCXKDVNFTORD-UHFFFAOYSA-N
XLogP6.70
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.58
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide (CID 123660479) is 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)C)c(-c3ccc4c(n3)-c3cc5ccccc5n3CO4)cc12.
What is the InChIKey of 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide?
The InChIKey is IIBCXKDVNFTORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25FN4O3/c1-34-32(38)29-22-15-21(25(36(2)3)16-28(22)40-31(29)18-8-10-20(33)11-9-18)23-12-13-27-30(35-23)26-14-19-6-4-5-7-24(19)37(26)17-39-27/h4-16H,17H2,1-3H3,(H,34,38).
What are the key properties of 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide?
6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide has a molecular weight of 532.58 g/mol, XLogP of 6.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-5-(8-oxa-3,10-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,11,13,15-heptaen-4-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 123660479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).